DDO-5936 - Moligand™, ≥95% , CAS No.2355377-13-6

CAS: 2355377-13-6 Cat. No.: D647795 Formule: C₂₅H₂₉N₅O₄S Poids moléculaire: 495.59

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-(2,4,6-Trimethyl-N-(4-((2-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)phenyl)phenylsulfonamido)acetic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

DDO-5936 is an Hsp90-Cdc37 PPI inhibitor that exerts its activity and specificity by binding to a key site on Hsp90 involving Glu47. 

DDO-5936 (0–80 mg/kg; po) showed good efficacy in the high-dose group. 

DDO-5936 showed good tolerance with no significant weight loss. The high-dose group of DDO-5936 exhibited a significant reduction in tumor cells in the xenografts.

Specifications

Synonymes

2-(2,4,6-Trimethyl-N-(4-((2-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)phenyl)phenylsulfonamido)acetic acid

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

DDO-5936 is a potent and specific Hsp90-Cdc37 PPI inhibitor. DDO-5936 can be used for the research of colorectal cancer.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)NC3=NC(=NC=C3)N4CCCC4)C
• IUPAC Name: 2-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetic acid
• InChIKey: IIPYRKNROAWEPK-UHFFFAOYSA-N
• INCHI: 1S/C25H29N5O4S/c1-17-14-18(2)24(19(3)15-17)35(33,34)30(16-23(31)32)21-8-6-20(7-9-21)27-22-10-11-26-25(28-22)29-12-4-5-13-29/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,31,32)(H,26,27,28)
• Isomères SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)NC3=NC(=NC=C3)N4CCCC4)C
• Poids moléculaire: 495.59

Cibles associées (humaines)

A549 (127892 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AA1 Tchem Heat shock protein HSP90 (3606 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AB1 Tchem Heat shock protein HSP 90-beta/Hsp90 co-chaperone Cdc37 (85 Activities)

Discover Target: HSP90AB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 12.5 mg/mL (25.22 mM; ultrasonic and warming and heat to 60°C)
• Poids moléculaire: 495.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 495.194 Da
• Monoisotopic Mass: 495.194 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 795.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1